ethyl 4-[2-[4-[3-(4-bromanylpyrazol-1-yl)propanoylamino]-3-methyl-pyrazol-1-yl]propanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[4-[3-(4-bromanylpyrazol-1-yl)propanoylamino]-3-methyl-pyrazol-1-yl]propanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[4-[3-(4-bromopyrazol-1-yl)propanoylamino]-3-methyl-pyrazol-1-yl]propanoyl]piperazine-1-carboxylate CAS Name: 4-[2-[4-[[3-(4-bromo-1-pyrazolyl)-1-oxopropyl]amino]-3-methyl-1-pyrazolyl]-1-oxopropyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[4-[3-(4-bromopyrazol-1-yl)propanoylamino]-3-methylpyrazol-1-yl]propanoyl]piperazine-1-carboxylate Traditional Name: 4-[2-[4-[3-(4-bromopyrazol-1-yl)propanoylamino]-3-methyl-pyrazol-1-yl]propanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C20H28BrN7O4 MolecularWeight: 510.38482

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C(C)N2C=C(C(=N2)C)NC(=O)CCN3C=C(C=N3)Br

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C(C)N2C=C(C(=N2)C)NC(=O)CCN3C=C(C=N3)Br

InChI

InChI=1S/C20H28BrN7O4/c1-4-32-20(31)26-9-7-25(8-10-26)19(30)15(3)28-13-17(14(2)24-28)23-18(29)5-6-27-12-16(21)11-22-27/h11-13,15H,4-10H2,1-3H3,(H,23,29)